Geometry & MOs

Info

ID:	436102
PubChem CID:	135193839
Reduced:	O2F3N4C29H33 (1)
Stoich.:	A2B3C4D29E33 (1)
Weight, g/mol:	358.045293
ΔH_f, kcal/mol:	-194.45
Dipole, Da:	6.48
IP(EA), eV:	-8.55(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

19-(trifluoromethyl)-5,7,14-trioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,15,17,19-octaen-21-one

Drug info:

PubChemData

Smile

CCC1=NN2CCCCC2=C1C(=O)NCC3=CC=C(C=C3)C4CCN(CC4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations